6-bromo-2-methylpyridazin-3-one

C5H5BrN2O — CID 14118999

IUPAC6-bromo-2-methylpyridazin-3-one
SMILESCn1nc(Br)ccc1=O
InChIInChI=1S/C5H5BrN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3
InChIKeyKDZJDTWUSLHWQN-UHFFFAOYSA-N
MW189.01 g/mol
LogP0.54
Rot. Bonds

About 6-bromo-2-methylpyridazin-3-one

6-bromo-2-methylpyridazin-3-one (PubChem CID 14118999) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is 6-bromo-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-bromo-2-methylpyridazin-3-one
PubChem CID14118999
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name6-bromo-2-methylpyridazin-3-one
SMILESCn1nc(Br)ccc1=O
InChIInChI=1S/C5H5BrN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3
InChIKeyKDZJDTWUSLHWQN-UHFFFAOYSA-N
XLogP0.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylpyridazin-3-one?
The IUPAC name of 6-bromo-2-methylpyridazin-3-one (CID 14118999) is 6-bromo-2-methylpyridazin-3-one.
What is the SMILES notation for 6-bromo-2-methylpyridazin-3-one?
The canonical SMILES for 6-bromo-2-methylpyridazin-3-one is Cn1nc(Br)ccc1=O.
What is the InChIKey of 6-bromo-2-methylpyridazin-3-one?
The InChIKey is KDZJDTWUSLHWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3.
What are the key properties of 6-bromo-2-methylpyridazin-3-one?
6-bromo-2-methylpyridazin-3-one has a molecular weight of 189.01 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylpyridazin-3-one is sourced from PubChem (CID 14118999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).